2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane

C8H20O5P2 — CID 600301

IUPAC2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OP(C)(=O)OC(C)C
InChIInChI=1S/C8H20O5P2/c1-7(2)11-14(5,9)13-15(6,10)12-8(3)4/h7-8H,1-6H3
InChIKeySAVYTRKCUVDEFC-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.50
Rot. Bonds6

About 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane

2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane (PubChem CID 600301) has the molecular formula C8H20O5P2 and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane.

Molecular Properties

Compound Name2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
PubChem CID600301
Molecular FormulaC8H20O5P2
Molecular Weight258.19 g/mol
Exact Mass258.08
IUPAC Name2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OP(C)(=O)OC(C)C
InChIInChI=1S/C8H20O5P2/c1-7(2)11-14(5,9)13-15(6,10)12-8(3)4/h7-8H,1-6H3
InChIKeySAVYTRKCUVDEFC-UHFFFAOYSA-N
XLogP3.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
The IUPAC name of 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane (CID 600301) is 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane.
What is the SMILES notation for 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
The canonical SMILES for 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane is CC(C)OP(C)(=O)OP(C)(=O)OC(C)C.
What is the InChIKey of 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
The InChIKey is SAVYTRKCUVDEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O5P2/c1-7(2)11-14(5,9)13-15(6,10)12-8(3)4/h7-8H,1-6H3.
What are the key properties of 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane?
2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane has a molecular weight of 258.19 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[methyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane is sourced from PubChem (CID 600301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).